2XM2
BtGH84 in complex with LOGNAc
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-03-08 |
Detector | ADSC CCD |
Spacegroup name | P 1 |
Unit cell lengths | 51.510, 93.440, 98.920 |
Unit cell angles | 104.12, 94.26, 102.92 |
Refinement procedure
Resolution | 43.700 - 1.950 |
R-factor | 0.18292 |
Rwork | 0.181 |
R-free | 0.22084 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2cho |
RMSD bond length | 0.018 |
RMSD bond angle | 1.520 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.650 | 2.060 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.060 | 0.310 |
Number of reflections | 119746 | |
<I/σ(I)> | 8.1 | 2.3 |
Completeness [%] | 95.1 | 93.8 |
Redundancy | 2.1 | 2.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 0.3M AMMONIUM ACETATE, 0.1M MES PH6.0, 15% PEG3350(W/V), 10% GLYCEROL |